USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -0.757 K(o=1.3,f=-9.7!) USER MOD Set 1.2: B 16 LYS NZ :NH3+ 155:sc= 2.04 (180deg=0.215) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 152:sc= 2.04 (180deg=0.286) USER MOD Set 2.2: B 17 ASN : amide:sc= -0.538 K(o=1.5,f=-9.7!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.58 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 2.46 (180deg=2.3) USER MOD Single : A 5 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.86) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0114) USER MOD Single : A 15 SER OG : rot 90:sc= 1.22 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.892 K(o=0.89,f=-3.6!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0234 F(o=-1.1,f=-0.023) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -124:sc= 0.103 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.561 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 177:sc= 2.42 (180deg=2.25) USER MOD Single : B 5 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.94) USER MOD Single : B 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00725) USER MOD Single : B 15 SER OG : rot 74:sc= 1.14 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 0.817 K(o=0.82,f=-3.6!) USER MOD Single : B 22 ASN :FLIP amide:sc= -0.0232 F(o=-1.1!,f=-0.023) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.949 -3.105 -5.814 1.00 0.00 N ATOM 2 CA GLY A 1 21.944 -2.222 -5.159 1.00 0.00 C ATOM 3 C GLY A 1 21.409 -0.822 -4.966 1.00 0.00 C ATOM 4 O GLY A 1 20.210 -0.597 -5.113 1.00 0.00 O ATOM 0 H1 GLY A 1 20.941 -4.031 -5.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.005 -2.674 -5.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.202 -3.230 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.222 -2.642 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.851 -2.185 -5.763 1.00 0.00 H new ATOM 10 N SER A 2 22.309 0.112 -4.644 1.00 0.00 N ATOM 11 CA SER A 2 21.960 1.516 -4.432 1.00 0.00 C ATOM 12 C SER A 2 21.048 1.699 -3.219 1.00 0.00 C ATOM 13 O SER A 2 19.865 1.352 -3.245 1.00 0.00 O ATOM 14 CB SER A 2 21.309 2.112 -5.684 1.00 0.00 C ATOM 15 OG SER A 2 20.952 3.473 -5.485 1.00 0.00 O ATOM 0 H SER A 2 23.302 -0.087 -4.523 1.00 0.00 H new ATOM 0 HA SER A 2 22.888 2.051 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.997 2.034 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.421 1.536 -5.944 1.00 0.00 H new ATOM 0 HG SER A 2 20.541 3.826 -6.301 1.00 0.00 H new ATOM 21 N MET A 3 21.603 2.261 -2.156 1.00 0.00 N ATOM 22 CA MET A 3 20.823 2.556 -0.965 1.00 0.00 C ATOM 23 C MET A 3 19.841 3.683 -1.251 1.00 0.00 C ATOM 24 O MET A 3 18.815 3.809 -0.586 1.00 0.00 O ATOM 25 CB MET A 3 21.729 2.936 0.208 1.00 0.00 C ATOM 26 CG MET A 3 22.593 1.791 0.709 1.00 0.00 C ATOM 27 SD MET A 3 23.591 2.254 2.138 1.00 0.00 S ATOM 28 CE MET A 3 24.489 0.732 2.427 1.00 0.00 C ATOM 0 H MET A 3 22.587 2.521 -2.094 1.00 0.00 H new ATOM 0 HA MET A 3 20.270 1.658 -0.690 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.374 3.761 -0.095 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.112 3.300 1.029 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.955 0.947 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.248 1.456 -0.095 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.152 0.858 3.283 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.784 -0.074 2.630 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.079 0.484 1.544 1.00 0.00 H new ATOM 38 N LYS A 4 20.166 4.504 -2.243 1.00 0.00 N ATOM 39 CA LYS A 4 19.281 5.582 -2.656 1.00 0.00 C ATOM 40 C LYS A 4 18.064 5.036 -3.393 1.00 0.00 C ATOM 41 O LYS A 4 16.932 5.394 -3.073 1.00 0.00 O ATOM 42 CB LYS A 4 20.010 6.585 -3.552 1.00 0.00 C ATOM 43 CG LYS A 4 19.158 7.794 -3.903 1.00 0.00 C ATOM 44 CD LYS A 4 18.944 8.691 -2.694 1.00 0.00 C ATOM 45 CE LYS A 4 17.774 9.639 -2.894 1.00 0.00 C ATOM 46 NZ LYS A 4 16.464 8.950 -2.728 1.00 0.00 N ATOM 0 H LYS A 4 21.035 4.442 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 4 18.951 6.093 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.918 6.920 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.319 6.086 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.640 8.362 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.193 7.462 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.766 8.076 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.850 9.267 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.846 10.459 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.829 10.078 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.696 9.650 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.340 8.252 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.440 8.467 -1.807 1.00 0.00 H new ATOM 60 N GLN A 5 18.295 4.167 -4.375 1.00 0.00 N ATOM 61 CA GLN A 5 17.206 3.611 -5.169 1.00 0.00 C ATOM 62 C GLN A 5 16.273 2.783 -4.296 1.00 0.00 C ATOM 63 O GLN A 5 15.052 2.902 -4.399 1.00 0.00 O ATOM 64 CB GLN A 5 17.744 2.761 -6.323 1.00 0.00 C ATOM 65 CG GLN A 5 16.654 2.216 -7.236 1.00 0.00 C ATOM 66 CD GLN A 5 15.774 3.312 -7.812 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.224 4.436 -8.038 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.510 2.994 -8.046 1.00 0.00 N ATOM 0 H GLN A 5 19.223 3.835 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 5 16.643 4.443 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.435 3.361 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.315 1.927 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.114 1.658 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.035 1.514 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.176 2.051 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.871 3.692 -8.427 1.00 0.00 H new ATOM 77 N LEU A 6 16.850 1.960 -3.426 1.00 0.00 N ATOM 78 CA LEU A 6 16.051 1.159 -2.500 1.00 0.00 C ATOM 79 C LEU A 6 15.234 2.070 -1.591 1.00 0.00 C ATOM 80 O LEU A 6 14.084 1.774 -1.271 1.00 0.00 O ATOM 81 CB LEU A 6 16.931 0.224 -1.657 1.00 0.00 C ATOM 82 CG LEU A 6 17.626 -0.908 -2.423 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.525 -1.701 -1.489 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.601 -1.825 -3.075 1.00 0.00 C ATOM 0 H LEU A 6 17.858 1.829 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 6 15.377 0.539 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.694 0.824 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.314 -0.218 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 6 18.239 -0.466 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.012 -2.502 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.282 -1.041 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.927 -2.130 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.115 -2.621 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.962 -2.260 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.991 -1.251 -3.772 1.00 0.00 H new ATOM 96 N GLU A 7 15.832 3.191 -1.206 1.00 0.00 N ATOM 97 CA GLU A 7 15.166 4.188 -0.385 1.00 0.00 C ATOM 98 C GLU A 7 13.967 4.780 -1.123 1.00 0.00 C ATOM 99 O GLU A 7 12.895 4.957 -0.541 1.00 0.00 O ATOM 100 CB GLU A 7 16.164 5.286 -0.020 1.00 0.00 C ATOM 101 CG GLU A 7 15.552 6.498 0.651 1.00 0.00 C ATOM 102 CD GLU A 7 16.565 7.602 0.838 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.293 7.580 1.852 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.655 8.490 -0.038 1.00 0.00 O ATOM 0 H GLU A 7 16.791 3.432 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 7 14.799 3.715 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.921 4.865 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.676 5.609 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.720 6.865 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.144 6.211 1.620 1.00 0.00 H new ATOM 111 N ASP A 8 14.161 5.080 -2.406 1.00 0.00 N ATOM 112 CA ASP A 8 13.087 5.598 -3.249 1.00 0.00 C ATOM 113 C ASP A 8 11.919 4.627 -3.291 1.00 0.00 C ATOM 114 O ASP A 8 10.764 5.031 -3.189 1.00 0.00 O ATOM 115 CB ASP A 8 13.590 5.871 -4.669 1.00 0.00 C ATOM 116 CG ASP A 8 14.185 7.256 -4.818 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.421 8.203 -5.103 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.412 7.413 -4.643 1.00 0.00 O ATOM 0 H ASP A 8 15.055 4.973 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 8 12.747 6.538 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.340 5.126 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.765 5.756 -5.372 1.00 0.00 H new ATOM 123 N LYS A 9 12.230 3.348 -3.449 1.00 0.00 N ATOM 124 CA LYS A 9 11.200 2.293 -3.414 1.00 0.00 C ATOM 125 C LYS A 9 10.447 2.308 -2.090 1.00 0.00 C ATOM 126 O LYS A 9 9.217 2.325 -2.070 1.00 0.00 O ATOM 127 CB LYS A 9 11.794 0.894 -3.586 1.00 0.00 C ATOM 128 CG LYS A 9 12.903 0.814 -4.624 1.00 0.00 C ATOM 129 CD LYS A 9 13.383 -0.613 -4.841 1.00 0.00 C ATOM 130 CE LYS A 9 12.285 -1.489 -5.425 1.00 0.00 C ATOM 131 NZ LYS A 9 12.762 -2.868 -5.709 1.00 0.00 N ATOM 0 H LYS A 9 13.179 3.007 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 9 10.528 2.508 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.184 0.556 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.998 0.205 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.545 1.223 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.742 1.434 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.243 -0.611 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.719 -1.033 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.447 -1.532 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.913 -1.038 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.974 -3.440 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.522 -2.833 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.125 -3.297 -4.834 1.00 0.00 H new ATOM 145 N VAL A 10 11.205 2.296 -0.993 1.00 0.00 N ATOM 146 CA VAL A 10 10.637 2.290 0.357 1.00 0.00 C ATOM 147 C VAL A 10 9.699 3.473 0.501 1.00 0.00 C ATOM 148 O VAL A 10 8.604 3.374 1.055 1.00 0.00 O ATOM 149 CB VAL A 10 11.736 2.391 1.440 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.120 2.477 2.827 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.686 1.208 1.359 1.00 0.00 C ATOM 0 H VAL A 10 12.225 2.290 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 10 10.105 1.349 0.497 1.00 0.00 H new ATOM 0 HB VAL A 10 12.304 3.303 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.912 2.547 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.484 3.360 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.522 1.585 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.450 1.302 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.129 0.283 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.161 1.189 0.378 1.00 0.00 H new ATOM 161 N GLU A 11 10.150 4.582 -0.046 1.00 0.00 N ATOM 162 CA GLU A 11 9.402 5.831 -0.009 1.00 0.00 C ATOM 163 C GLU A 11 8.140 5.751 -0.870 1.00 0.00 C ATOM 164 O GLU A 11 7.039 6.056 -0.401 1.00 0.00 O ATOM 165 CB GLU A 11 10.291 6.981 -0.482 1.00 0.00 C ATOM 166 CG GLU A 11 9.590 8.327 -0.522 1.00 0.00 C ATOM 167 CD GLU A 11 10.519 9.442 -0.939 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.736 9.622 -2.158 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.056 10.132 -0.048 1.00 0.00 O ATOM 0 H GLU A 11 11.045 4.648 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 11 9.092 6.012 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.156 7.053 0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.668 6.749 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.751 8.277 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.177 8.549 0.462 1.00 0.00 H new ATOM 176 N GLU A 12 8.304 5.342 -2.126 1.00 0.00 N ATOM 177 CA GLU A 12 7.191 5.281 -3.068 1.00 0.00 C ATOM 178 C GLU A 12 6.113 4.316 -2.579 1.00 0.00 C ATOM 179 O GLU A 12 4.955 4.695 -2.399 1.00 0.00 O ATOM 180 CB GLU A 12 7.706 4.843 -4.437 1.00 0.00 C ATOM 181 CG GLU A 12 6.641 4.814 -5.518 1.00 0.00 C ATOM 182 CD GLU A 12 7.195 4.348 -6.844 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.057 3.149 -7.165 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.791 5.176 -7.566 1.00 0.00 O ATOM 0 H GLU A 12 9.200 5.047 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 12 6.745 6.273 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.504 5.518 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.145 3.849 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.830 4.153 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.214 5.810 -5.633 1.00 0.00 H new ATOM 191 N LEU A 13 6.516 3.071 -2.368 1.00 0.00 N ATOM 192 CA LEU A 13 5.628 2.028 -1.864 1.00 0.00 C ATOM 193 C LEU A 13 4.878 2.462 -0.607 1.00 0.00 C ATOM 194 O LEU A 13 3.685 2.226 -0.499 1.00 0.00 O ATOM 195 CB LEU A 13 6.419 0.752 -1.576 1.00 0.00 C ATOM 196 CG LEU A 13 7.010 0.063 -2.807 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.899 -1.094 -2.392 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.902 -0.425 -3.726 1.00 0.00 C ATOM 0 H LEU A 13 7.470 2.753 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 13 4.888 1.837 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.230 0.993 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.766 0.046 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 13 7.616 0.788 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.311 -1.573 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.713 -0.722 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.313 -1.819 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.340 -0.913 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.272 -1.135 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.298 0.423 -4.050 1.00 0.00 H new ATOM 210 N LEU A 14 5.575 3.082 0.340 1.00 0.00 N ATOM 211 CA LEU A 14 4.945 3.550 1.574 1.00 0.00 C ATOM 212 C LEU A 14 3.903 4.628 1.281 1.00 0.00 C ATOM 213 O LEU A 14 2.809 4.612 1.848 1.00 0.00 O ATOM 214 CB LEU A 14 5.998 4.074 2.562 1.00 0.00 C ATOM 215 CG LEU A 14 5.449 4.654 3.870 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.708 3.593 4.669 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.575 5.250 4.697 1.00 0.00 C ATOM 0 H LEU A 14 6.575 3.273 0.279 1.00 0.00 H new ATOM 0 HA LEU A 14 4.438 2.701 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.680 3.259 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.587 4.844 2.063 1.00 0.00 H new ATOM 0 HG LEU A 14 4.741 5.444 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.329 4.031 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.875 3.210 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.389 2.776 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.170 5.658 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.305 4.475 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.060 6.046 4.132 1.00 0.00 H new ATOM 229 N SER A 15 4.236 5.553 0.384 1.00 0.00 N ATOM 230 CA SER A 15 3.304 6.598 -0.016 1.00 0.00 C ATOM 231 C SER A 15 2.047 5.985 -0.640 1.00 0.00 C ATOM 232 O SER A 15 0.926 6.403 -0.344 1.00 0.00 O ATOM 233 CB SER A 15 3.983 7.548 -1.004 1.00 0.00 C ATOM 234 OG SER A 15 5.213 8.027 -0.477 1.00 0.00 O ATOM 0 H SER A 15 5.144 5.598 -0.078 1.00 0.00 H new ATOM 0 HA SER A 15 3.005 7.162 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.162 7.032 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.323 8.388 -1.221 1.00 0.00 H new ATOM 0 HG SER A 15 5.939 7.423 -0.740 1.00 0.00 H new ATOM 240 N LYS A 16 2.242 4.984 -1.492 1.00 0.00 N ATOM 241 CA LYS A 16 1.127 4.297 -2.131 1.00 0.00 C ATOM 242 C LYS A 16 0.393 3.406 -1.128 1.00 0.00 C ATOM 243 O LYS A 16 -0.830 3.350 -1.126 1.00 0.00 O ATOM 244 CB LYS A 16 1.617 3.470 -3.325 1.00 0.00 C ATOM 245 CG LYS A 16 0.525 2.652 -4.003 1.00 0.00 C ATOM 246 CD LYS A 16 1.037 1.979 -5.264 1.00 0.00 C ATOM 247 CE LYS A 16 0.000 1.040 -5.862 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.181 -0.191 -5.052 1.00 0.00 N ATOM 0 H LYS A 16 3.162 4.631 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 16 0.428 5.049 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.063 4.141 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.405 2.796 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.152 1.896 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.316 3.300 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.306 2.738 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.945 1.420 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.954 1.561 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.302 0.766 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.148 -0.552 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.502 -0.912 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.025 0.028 -4.047 1.00 0.00 H new ATOM 262 N ASN A 17 1.147 2.723 -0.276 1.00 0.00 N ATOM 263 CA ASN A 17 0.574 1.868 0.766 1.00 0.00 C ATOM 264 C ASN A 17 -0.443 2.655 1.587 1.00 0.00 C ATOM 265 O ASN A 17 -1.583 2.221 1.769 1.00 0.00 O ATOM 266 CB ASN A 17 1.697 1.336 1.672 1.00 0.00 C ATOM 267 CG ASN A 17 1.263 0.208 2.599 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.097 0.089 2.966 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.215 -0.623 3.009 1.00 0.00 N ATOM 0 H ASN A 17 2.167 2.743 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 17 0.065 1.024 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.518 0.984 1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.085 2.158 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.986 -1.386 3.646 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.175 -0.498 2.686 1.00 0.00 H new ATOM 276 N TYR A 18 -0.030 3.830 2.050 1.00 0.00 N ATOM 277 CA TYR A 18 -0.897 4.707 2.815 1.00 0.00 C ATOM 278 C TYR A 18 -2.104 5.156 1.992 1.00 0.00 C ATOM 279 O TYR A 18 -3.181 5.402 2.536 1.00 0.00 O ATOM 280 CB TYR A 18 -0.106 5.921 3.288 1.00 0.00 C ATOM 281 CG TYR A 18 -0.557 6.414 4.632 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.146 5.763 5.781 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.395 7.510 4.755 1.00 0.00 C ATOM 284 CE1 TYR A 18 -0.557 6.186 7.021 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.812 7.945 5.995 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.391 7.278 7.128 1.00 0.00 C ATOM 287 OH TYR A 18 -1.806 7.702 8.369 1.00 0.00 O ATOM 0 H TYR A 18 0.911 4.196 1.904 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.270 4.153 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.952 5.665 3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.207 6.724 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.509 4.908 5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.726 8.030 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.228 5.665 7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.464 8.802 6.079 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.388 8.484 8.270 1.00 0.00 H new ATOM 297 N HIS A 19 -1.918 5.258 0.679 1.00 0.00 N ATOM 298 CA HIS A 19 -2.989 5.666 -0.223 1.00 0.00 C ATOM 299 C HIS A 19 -4.139 4.671 -0.141 1.00 0.00 C ATOM 300 O HIS A 19 -5.291 5.056 0.064 1.00 0.00 O ATOM 301 CB HIS A 19 -2.479 5.739 -1.666 1.00 0.00 C ATOM 302 CG HIS A 19 -3.188 6.744 -2.525 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.527 6.671 -2.846 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.721 7.855 -3.143 1.00 0.00 C ATOM 305 CE1 HIS A 19 -4.846 7.687 -3.623 1.00 0.00 C ATOM 306 NE2 HIS A 19 -3.770 8.421 -3.818 1.00 0.00 N ATOM 0 H HIS A 19 -1.031 5.063 0.215 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.337 6.654 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.416 5.978 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.578 4.755 -2.123 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.170 5.944 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.707 8.227 -3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.826 7.885 -4.031 1.00 0.00 H new ATOM 315 N LEU A 20 -3.813 3.389 -0.283 1.00 0.00 N ATOM 316 CA LEU A 20 -4.826 2.337 -0.231 1.00 0.00 C ATOM 317 C LEU A 20 -5.390 2.205 1.177 1.00 0.00 C ATOM 318 O LEU A 20 -6.576 1.937 1.343 1.00 0.00 O ATOM 319 CB LEU A 20 -4.301 0.974 -0.716 1.00 0.00 C ATOM 320 CG LEU A 20 -3.963 0.865 -2.212 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.121 1.342 -3.069 1.00 0.00 C ATOM 322 CD2 LEU A 20 -2.696 1.620 -2.561 1.00 0.00 C ATOM 0 H LEU A 20 -2.861 3.054 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.618 2.638 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.405 0.730 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.047 0.216 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.788 -0.190 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.855 1.254 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.000 0.731 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.341 2.384 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.493 1.517 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.822 2.675 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.861 1.212 -1.992 1.00 0.00 H new ATOM 334 N GLU A 21 -4.542 2.406 2.183 1.00 0.00 N ATOM 335 CA GLU A 21 -4.986 2.398 3.577 1.00 0.00 C ATOM 336 C GLU A 21 -6.160 3.355 3.778 1.00 0.00 C ATOM 337 O GLU A 21 -7.157 3.011 4.419 1.00 0.00 O ATOM 338 CB GLU A 21 -3.833 2.785 4.509 1.00 0.00 C ATOM 339 CG GLU A 21 -2.887 1.637 4.830 1.00 0.00 C ATOM 340 CD GLU A 21 -3.484 0.649 5.813 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.722 -0.173 6.359 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.705 0.705 6.067 1.00 0.00 O ATOM 0 H GLU A 21 -3.544 2.576 2.060 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.315 1.388 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.264 3.594 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.246 3.173 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.628 1.116 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.960 2.038 5.241 1.00 0.00 H new ATOM 349 N ASN A 22 -6.043 4.548 3.209 1.00 0.00 N ATOM 350 CA ASN A 22 -7.094 5.553 3.319 1.00 0.00 C ATOM 351 C ASN A 22 -8.343 5.117 2.556 1.00 0.00 C ATOM 352 O ASN A 22 -9.462 5.252 3.055 1.00 0.00 O ATOM 353 CB ASN A 22 -6.605 6.907 2.798 1.00 0.00 C ATOM 354 CG ASN A 22 -5.481 7.498 3.629 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.459 7.199 4.921 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.631 8.223 3.111 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.231 4.844 2.667 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.350 5.657 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.265 6.791 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.441 7.606 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.678 8.432 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.880 8.614 3.679 1.00 0.00 H new ATOM 363 N GLU A 23 -8.146 4.588 1.349 1.00 0.00 N ATOM 364 CA GLU A 23 -9.256 4.096 0.537 1.00 0.00 C ATOM 365 C GLU A 23 -10.015 2.993 1.260 1.00 0.00 C ATOM 366 O GLU A 23 -11.244 3.032 1.338 1.00 0.00 O ATOM 367 CB GLU A 23 -8.763 3.568 -0.812 1.00 0.00 C ATOM 368 CG GLU A 23 -8.940 4.547 -1.960 1.00 0.00 C ATOM 369 CD GLU A 23 -8.124 5.804 -1.787 1.00 0.00 C ATOM 370 OE1 GLU A 23 -6.961 5.824 -2.235 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.646 6.785 -1.217 1.00 0.00 O ATOM 0 H GLU A 23 -7.229 4.490 0.913 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.926 4.938 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.707 3.311 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.297 2.647 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.656 4.061 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.994 4.812 -2.046 1.00 0.00 H new ATOM 378 N VAL A 24 -9.274 2.019 1.785 1.00 0.00 N ATOM 379 CA VAL A 24 -9.870 0.901 2.502 1.00 0.00 C ATOM 380 C VAL A 24 -10.794 1.406 3.611 1.00 0.00 C ATOM 381 O VAL A 24 -11.956 1.008 3.703 1.00 0.00 O ATOM 382 CB VAL A 24 -8.795 -0.028 3.114 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.427 -1.082 4.011 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.988 -0.697 2.018 1.00 0.00 C ATOM 0 H VAL A 24 -8.256 1.985 1.725 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.447 0.327 1.777 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.130 0.585 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.648 -1.720 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.967 -0.593 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.120 -1.688 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.236 -1.347 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.651 -1.289 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.496 0.064 1.412 1.00 0.00 H new ATOM 394 N ALA A 25 -10.268 2.307 4.430 1.00 0.00 N ATOM 395 CA ALA A 25 -11.019 2.878 5.542 1.00 0.00 C ATOM 396 C ALA A 25 -12.277 3.611 5.072 1.00 0.00 C ATOM 397 O ALA A 25 -13.348 3.463 5.669 1.00 0.00 O ATOM 398 CB ALA A 25 -10.132 3.820 6.335 1.00 0.00 C ATOM 0 H ALA A 25 -9.315 2.661 4.344 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.342 2.054 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.700 4.243 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.275 3.271 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.784 4.624 5.687 1.00 0.00 H new ATOM 404 N ARG A 26 -12.147 4.399 4.009 1.00 0.00 N ATOM 405 CA ARG A 26 -13.266 5.168 3.482 1.00 0.00 C ATOM 406 C ARG A 26 -14.362 4.250 2.944 1.00 0.00 C ATOM 407 O ARG A 26 -15.543 4.447 3.230 1.00 0.00 O ATOM 408 CB ARG A 26 -12.781 6.131 2.392 1.00 0.00 C ATOM 409 CG ARG A 26 -13.907 6.818 1.633 1.00 0.00 C ATOM 410 CD ARG A 26 -13.406 8.008 0.827 1.00 0.00 C ATOM 411 NE ARG A 26 -12.264 7.674 -0.030 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.150 8.051 -1.306 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.129 8.731 -1.893 1.00 0.00 N ATOM 414 NH2 ARG A 26 -11.054 7.758 -1.994 1.00 0.00 N ATOM 0 H ARG A 26 -11.274 4.521 3.495 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.693 5.751 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.146 6.891 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.161 5.581 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.384 6.101 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.669 7.152 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.218 8.390 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.120 8.809 1.509 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.509 7.119 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.972 8.967 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.038 9.017 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.295 7.243 -1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.971 8.048 -2.968 1.00 0.00 H new ATOM 428 N LEU A 27 -13.964 3.241 2.179 1.00 0.00 N ATOM 429 CA LEU A 27 -14.916 2.293 1.607 1.00 0.00 C ATOM 430 C LEU A 27 -15.641 1.503 2.699 1.00 0.00 C ATOM 431 O LEU A 27 -16.810 1.145 2.535 1.00 0.00 O ATOM 432 CB LEU A 27 -14.205 1.352 0.633 1.00 0.00 C ATOM 433 CG LEU A 27 -13.667 2.024 -0.628 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.735 1.092 -1.375 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.809 2.467 -1.529 1.00 0.00 C ATOM 0 H LEU A 27 -12.990 3.057 1.940 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.669 2.858 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.377 0.871 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.898 0.563 0.340 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.103 2.907 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.363 1.590 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.896 0.825 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.275 0.189 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.404 2.943 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.402 1.599 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.440 3.176 -0.994 1.00 0.00 H new ATOM 447 N LYS A 28 -14.960 1.254 3.818 1.00 0.00 N ATOM 448 CA LYS A 28 -15.577 0.561 4.941 1.00 0.00 C ATOM 449 C LYS A 28 -16.681 1.420 5.538 1.00 0.00 C ATOM 450 O LYS A 28 -17.768 0.932 5.837 1.00 0.00 O ATOM 451 CB LYS A 28 -14.545 0.233 6.026 1.00 0.00 C ATOM 452 CG LYS A 28 -13.572 -0.878 5.660 1.00 0.00 C ATOM 453 CD LYS A 28 -12.557 -1.100 6.771 1.00 0.00 C ATOM 454 CE LYS A 28 -11.676 -2.308 6.495 1.00 0.00 C ATOM 455 NZ LYS A 28 -10.670 -2.516 7.570 1.00 0.00 N ATOM 0 H LYS A 28 -13.987 1.521 3.967 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.996 -0.374 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.977 1.135 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.072 -0.050 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.121 -1.801 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.055 -0.623 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.934 -0.212 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.079 -1.239 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.298 -3.198 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.166 -2.175 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.089 -3.349 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.060 -1.677 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.157 -2.668 8.476 1.00 0.00 H new ATOM 469 N LYS A 29 -16.382 2.703 5.724 1.00 0.00 N ATOM 470 CA LYS A 29 -17.358 3.666 6.202 1.00 0.00 C ATOM 471 C LYS A 29 -18.582 3.708 5.283 1.00 0.00 C ATOM 472 O LYS A 29 -19.720 3.750 5.753 1.00 0.00 O ATOM 473 CB LYS A 29 -16.702 5.051 6.292 1.00 0.00 C ATOM 474 CG LYS A 29 -17.646 6.188 6.656 1.00 0.00 C ATOM 475 CD LYS A 29 -16.929 7.527 6.604 1.00 0.00 C ATOM 476 CE LYS A 29 -17.855 8.671 6.970 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.151 9.978 6.942 1.00 0.00 N ATOM 0 H LYS A 29 -15.459 3.099 5.547 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.699 3.363 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.904 5.011 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.236 5.279 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.492 6.197 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.049 6.025 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.080 7.512 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.529 7.688 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.695 8.695 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.268 8.501 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.816 10.736 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.365 9.963 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.779 10.151 5.986 1.00 0.00 H new ATOM 491 N LEU A 30 -18.338 3.671 3.976 1.00 0.00 N ATOM 492 CA LEU A 30 -19.411 3.745 2.987 1.00 0.00 C ATOM 493 C LEU A 30 -20.333 2.530 3.073 1.00 0.00 C ATOM 494 O LEU A 30 -21.543 2.671 3.249 1.00 0.00 O ATOM 495 CB LEU A 30 -18.833 3.864 1.574 1.00 0.00 C ATOM 496 CG LEU A 30 -17.979 5.108 1.319 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.507 5.142 -0.124 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.757 6.371 1.654 1.00 0.00 C ATOM 0 H LEU A 30 -17.403 3.590 3.575 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.000 4.635 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.228 2.980 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.657 3.857 0.860 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.105 5.062 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.901 6.033 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.910 4.254 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.370 5.163 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.132 7.244 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.651 6.424 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.047 6.352 2.705 1.00 0.00 H new ATOM 510 N VAL A 31 -19.759 1.338 2.958 1.00 0.00 N ATOM 511 CA VAL A 31 -20.528 0.102 3.023 1.00 0.00 C ATOM 512 C VAL A 31 -20.899 -0.262 4.475 1.00 0.00 C ATOM 513 O VAL A 31 -21.532 -1.287 4.731 1.00 0.00 O ATOM 514 CB VAL A 31 -19.736 -1.057 2.369 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.578 -1.504 3.249 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.649 -2.221 2.032 1.00 0.00 C ATOM 0 H VAL A 31 -18.758 1.202 2.818 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.455 0.260 2.472 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.314 -0.683 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.043 -2.319 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.898 -0.667 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.962 -1.847 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -20.066 -3.020 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.119 -2.591 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.419 -1.889 1.336 1.00 0.00 H new ATOM 526 N GLY A 32 -20.533 0.600 5.416 1.00 0.00 N ATOM 527 CA GLY A 32 -20.754 0.311 6.819 1.00 0.00 C ATOM 528 C GLY A 32 -22.092 0.814 7.320 1.00 0.00 C ATOM 529 O GLY A 32 -22.168 1.487 8.349 1.00 0.00 O ATOM 0 H GLY A 32 -20.085 1.498 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.694 -0.766 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.957 0.765 7.408 1.00 0.00 H new ATOM 533 N GLU A 33 -23.145 0.499 6.591 1.00 0.00 N ATOM 534 CA GLU A 33 -24.491 0.865 6.994 1.00 0.00 C ATOM 535 C GLU A 33 -25.403 -0.342 6.872 1.00 0.00 C ATOM 536 O GLU A 33 -25.953 -0.568 5.775 1.00 0.00 O ATOM 537 CB GLU A 33 -25.025 2.025 6.139 1.00 0.00 C ATOM 538 CG GLU A 33 -24.326 3.353 6.388 1.00 0.00 C ATOM 539 CD GLU A 33 -24.856 4.453 5.497 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.287 4.666 4.410 1.00 0.00 O ATOM 541 OE2 GLU A 33 -25.854 5.102 5.871 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.539 -1.084 7.868 1.00 0.00 O ATOM 0 H GLU A 33 -23.094 -0.013 5.710 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.467 1.197 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.921 1.764 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.091 2.145 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.455 3.639 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.256 3.235 6.220 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.995 2.902 6.135 1.00 0.00 N ATOM 551 CA GLY B 1 21.993 2.031 5.471 1.00 0.00 C ATOM 552 C GLY B 1 21.475 0.621 5.294 1.00 0.00 C ATOM 553 O GLY B 1 20.281 0.380 5.465 1.00 0.00 O ATOM 0 H1 GLY B 1 20.805 3.731 5.536 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.113 2.371 6.281 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.366 3.217 7.054 1.00 0.00 H new ATOM 0 HA2 GLY B 1 22.251 2.449 4.498 1.00 0.00 H new ATOM 0 HA3 GLY B 1 22.909 2.011 6.062 1.00 0.00 H new ATOM 559 N SER B 2 22.379 -0.302 4.958 1.00 0.00 N ATOM 560 CA SER B 2 22.043 -1.711 4.755 1.00 0.00 C ATOM 561 C SER B 2 21.114 -1.909 3.557 1.00 0.00 C ATOM 562 O SER B 2 19.927 -1.577 3.601 1.00 0.00 O ATOM 563 CB SER B 2 21.420 -2.313 6.019 1.00 0.00 C ATOM 564 OG SER B 2 21.089 -3.682 5.832 1.00 0.00 O ATOM 0 H SER B 2 23.367 -0.091 4.819 1.00 0.00 H new ATOM 0 HA SER B 2 22.975 -2.235 4.541 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.117 -2.216 6.852 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.524 -1.754 6.287 1.00 0.00 H new ATOM 0 HG SER B 2 20.695 -4.039 6.655 1.00 0.00 H new ATOM 570 N MET B 3 21.662 -2.465 2.485 1.00 0.00 N ATOM 571 CA MET B 3 20.870 -2.780 1.306 1.00 0.00 C ATOM 572 C MET B 3 19.912 -3.920 1.611 1.00 0.00 C ATOM 573 O MET B 3 18.876 -4.064 0.965 1.00 0.00 O ATOM 574 CB MET B 3 21.768 -3.152 0.122 1.00 0.00 C ATOM 575 CG MET B 3 22.608 -1.999 -0.396 1.00 0.00 C ATOM 576 SD MET B 3 23.585 -2.450 -1.844 1.00 0.00 S ATOM 577 CE MET B 3 24.468 -0.922 -2.147 1.00 0.00 C ATOM 0 H MET B 3 22.650 -2.706 2.408 1.00 0.00 H new ATOM 0 HA MET B 3 20.298 -1.893 1.034 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.429 -3.965 0.421 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.146 -3.529 -0.690 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.955 -1.163 -0.648 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.275 -1.655 0.395 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.116 -1.042 -3.015 1.00 0.00 H new ATOM 0 HE2 MET B 3 23.754 -0.120 -2.336 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.072 -0.672 -1.275 1.00 0.00 H new ATOM 587 N LYS B 4 20.263 -4.732 2.602 1.00 0.00 N ATOM 588 CA LYS B 4 19.397 -5.818 3.032 1.00 0.00 C ATOM 589 C LYS B 4 18.183 -5.280 3.783 1.00 0.00 C ATOM 590 O LYS B 4 17.051 -5.656 3.486 1.00 0.00 O ATOM 591 CB LYS B 4 20.148 -6.808 3.923 1.00 0.00 C ATOM 592 CG LYS B 4 19.313 -8.027 4.288 1.00 0.00 C ATOM 593 CD LYS B 4 19.091 -8.932 3.085 1.00 0.00 C ATOM 594 CE LYS B 4 17.932 -9.893 3.305 1.00 0.00 C ATOM 595 NZ LYS B 4 16.612 -9.220 3.151 1.00 0.00 N ATOM 0 H LYS B 4 21.139 -4.657 3.120 1.00 0.00 H new ATOM 0 HA LYS B 4 19.062 -6.338 2.135 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.054 -7.134 3.412 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.462 -6.302 4.836 1.00 0.00 H new ATOM 0 HG2 LYS B 4 19.812 -8.587 5.079 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.350 -7.704 4.684 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.895 -8.322 2.203 1.00 0.00 H new ATOM 0 HD3 LYS B 4 20.000 -9.499 2.885 1.00 0.00 H new ATOM 0 HE2 LYS B 4 18.004 -10.717 2.595 1.00 0.00 H new ATOM 0 HE3 LYS B 4 18.004 -10.326 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 15.851 -9.920 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 16.511 -8.484 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 16.552 -8.785 2.208 1.00 0.00 H new ATOM 609 N GLN B 5 18.418 -4.403 4.756 1.00 0.00 N ATOM 610 CA GLN B 5 17.332 -3.858 5.562 1.00 0.00 C ATOM 611 C GLN B 5 16.376 -3.046 4.699 1.00 0.00 C ATOM 612 O GLN B 5 15.160 -3.185 4.817 1.00 0.00 O ATOM 613 CB GLN B 5 17.874 -2.998 6.705 1.00 0.00 C ATOM 614 CG GLN B 5 16.789 -2.469 7.631 1.00 0.00 C ATOM 615 CD GLN B 5 15.926 -3.573 8.214 1.00 0.00 C ATOM 616 OE1 GLN B 5 16.383 -4.698 8.420 1.00 0.00 O ATOM 617 NE2 GLN B 5 14.665 -3.263 8.471 1.00 0.00 N ATOM 0 H GLN B 5 19.345 -4.057 5.003 1.00 0.00 H new ATOM 0 HA GLN B 5 16.785 -4.696 5.994 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.583 -3.586 7.287 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.426 -2.156 6.286 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.252 -1.908 8.443 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.157 -1.771 7.082 1.00 0.00 H new ATOM 0 HE21 GLN B 5 14.324 -2.320 8.287 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.034 -3.968 8.853 1.00 0.00 H new ATOM 626 N LEU B 6 16.928 -2.218 3.819 1.00 0.00 N ATOM 627 CA LEU B 6 16.106 -1.431 2.904 1.00 0.00 C ATOM 628 C LEU B 6 15.285 -2.354 2.012 1.00 0.00 C ATOM 629 O LEU B 6 14.127 -2.075 1.710 1.00 0.00 O ATOM 630 CB LEU B 6 16.962 -0.491 2.043 1.00 0.00 C ATOM 631 CG LEU B 6 17.654 0.653 2.795 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.529 1.454 1.847 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.626 1.558 3.456 1.00 0.00 C ATOM 0 H LEU B 6 17.933 -2.074 3.719 1.00 0.00 H new ATOM 0 HA LEU B 6 15.435 -0.816 3.504 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.725 -1.084 1.539 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.328 -0.061 1.267 1.00 0.00 H new ATOM 0 HG LEU B 6 18.284 0.222 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 6 19.014 2.262 2.395 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.288 0.802 1.414 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.914 1.873 1.051 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.136 2.363 3.984 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.971 1.982 2.695 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.033 0.979 4.163 1.00 0.00 H new ATOM 645 N GLU B 7 15.892 -3.469 1.622 1.00 0.00 N ATOM 646 CA GLU B 7 15.226 -4.479 0.815 1.00 0.00 C ATOM 647 C GLU B 7 14.047 -5.082 1.574 1.00 0.00 C ATOM 648 O GLU B 7 12.965 -5.263 1.015 1.00 0.00 O ATOM 649 CB GLU B 7 16.235 -5.565 0.440 1.00 0.00 C ATOM 650 CG GLU B 7 15.633 -6.789 -0.218 1.00 0.00 C ATOM 651 CD GLU B 7 16.667 -7.869 -0.427 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.383 -7.816 -1.448 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.781 -8.769 0.435 1.00 0.00 O ATOM 0 H GLU B 7 16.858 -3.696 1.857 1.00 0.00 H new ATOM 0 HA GLU B 7 14.838 -4.017 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.977 -5.135 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.764 -5.877 1.341 1.00 0.00 H new ATOM 0 HG2 GLU B 7 14.822 -7.174 0.401 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.197 -6.510 -1.177 1.00 0.00 H new ATOM 660 N ASP B 8 14.266 -5.379 2.851 1.00 0.00 N ATOM 661 CA ASP B 8 13.213 -5.911 3.712 1.00 0.00 C ATOM 662 C ASP B 8 12.031 -4.956 3.768 1.00 0.00 C ATOM 663 O ASP B 8 10.880 -5.380 3.690 1.00 0.00 O ATOM 664 CB ASP B 8 13.739 -6.169 5.127 1.00 0.00 C ATOM 665 CG ASP B 8 14.349 -7.546 5.284 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.597 -8.495 5.595 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.579 -7.690 5.113 1.00 0.00 O ATOM 0 H ASP B 8 15.167 -5.260 3.315 1.00 0.00 H new ATOM 0 HA ASP B 8 12.883 -6.858 3.285 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.486 -5.415 5.375 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.922 -6.055 5.840 1.00 0.00 H new ATOM 672 N LYS B 9 12.327 -3.670 3.916 1.00 0.00 N ATOM 673 CA LYS B 9 11.285 -2.625 3.887 1.00 0.00 C ATOM 674 C LYS B 9 10.515 -2.655 2.574 1.00 0.00 C ATOM 675 O LYS B 9 9.286 -2.686 2.570 1.00 0.00 O ATOM 676 CB LYS B 9 11.863 -1.219 4.048 1.00 0.00 C ATOM 677 CG LYS B 9 12.986 -1.122 5.070 1.00 0.00 C ATOM 678 CD LYS B 9 13.451 0.312 5.275 1.00 0.00 C ATOM 679 CE LYS B 9 12.354 1.176 5.875 1.00 0.00 C ATOM 680 NZ LYS B 9 12.821 2.558 6.151 1.00 0.00 N ATOM 0 H LYS B 9 13.273 -3.317 4.057 1.00 0.00 H new ATOM 0 HA LYS B 9 10.626 -2.844 4.727 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.235 -0.878 3.082 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.062 -0.540 4.339 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.646 -1.532 6.021 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.828 -1.732 4.742 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.322 0.322 5.930 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.765 0.733 4.320 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.505 1.210 5.192 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.000 0.722 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 12.033 3.122 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.592 2.531 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.166 2.990 5.270 1.00 0.00 H new ATOM 694 N VAL B 10 11.257 -2.636 1.465 1.00 0.00 N ATOM 695 CA VAL B 10 10.670 -2.641 0.125 1.00 0.00 C ATOM 696 C VAL B 10 9.743 -3.833 -0.003 1.00 0.00 C ATOM 697 O VAL B 10 8.641 -3.748 -0.544 1.00 0.00 O ATOM 698 CB VAL B 10 11.754 -2.736 -0.972 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.122 -2.837 -2.351 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.687 -1.541 -0.910 1.00 0.00 C ATOM 0 H VAL B 10 12.277 -2.617 1.471 1.00 0.00 H new ATOM 0 HA VAL B 10 10.126 -1.706 -0.010 1.00 0.00 H new ATOM 0 HB VAL B 10 12.335 -3.641 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.905 -2.903 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.495 -3.727 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.512 -1.953 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.442 -1.628 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.115 -0.625 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.174 -1.510 0.064 1.00 0.00 H new ATOM 710 N GLU B 11 10.216 -4.936 0.538 1.00 0.00 N ATOM 711 CA GLU B 11 9.482 -6.194 0.520 1.00 0.00 C ATOM 712 C GLU B 11 8.233 -6.125 1.400 1.00 0.00 C ATOM 713 O GLU B 11 7.129 -6.442 0.950 1.00 0.00 O ATOM 714 CB GLU B 11 10.393 -7.329 0.984 1.00 0.00 C ATOM 715 CG GLU B 11 9.714 -8.685 1.040 1.00 0.00 C ATOM 716 CD GLU B 11 10.664 -9.778 1.472 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.865 -9.949 2.693 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.224 -10.465 0.595 1.00 0.00 O ATOM 0 H GLU B 11 11.121 -4.991 1.005 1.00 0.00 H new ATOM 0 HA GLU B 11 9.157 -6.384 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.249 -7.391 0.312 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.781 -7.088 1.974 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.873 -8.641 1.733 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.306 -8.927 0.059 1.00 0.00 H new ATOM 725 N GLU B 12 8.409 -5.708 2.651 1.00 0.00 N ATOM 726 CA GLU B 12 7.311 -5.658 3.609 1.00 0.00 C ATOM 727 C GLU B 12 6.213 -4.708 3.133 1.00 0.00 C ATOM 728 O GLU B 12 5.058 -5.103 2.972 1.00 0.00 O ATOM 729 CB GLU B 12 7.841 -5.210 4.971 1.00 0.00 C ATOM 730 CG GLU B 12 6.790 -5.192 6.064 1.00 0.00 C ATOM 731 CD GLU B 12 7.344 -4.702 7.381 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.221 -3.493 7.666 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.902 -5.523 8.137 1.00 0.00 O ATOM 0 H GLU B 12 9.306 -5.399 3.025 1.00 0.00 H new ATOM 0 HA GLU B 12 6.879 -6.655 3.697 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.651 -5.874 5.271 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.267 -4.211 4.874 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.962 -4.551 5.759 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.385 -6.196 6.193 1.00 0.00 H new ATOM 740 N LEU B 13 6.596 -3.460 2.913 1.00 0.00 N ATOM 741 CA LEU B 13 5.686 -2.430 2.417 1.00 0.00 C ATOM 742 C LEU B 13 4.924 -2.877 1.172 1.00 0.00 C ATOM 743 O LEU B 13 3.727 -2.653 1.082 1.00 0.00 O ATOM 744 CB LEU B 13 6.458 -1.145 2.114 1.00 0.00 C ATOM 745 CG LEU B 13 7.057 -0.446 3.334 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.927 0.720 2.899 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.955 0.028 4.273 1.00 0.00 C ATOM 0 H LEU B 13 7.547 -3.129 3.072 1.00 0.00 H new ATOM 0 HA LEU B 13 4.953 -2.246 3.203 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.263 -1.379 1.417 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.790 -0.449 1.607 1.00 0.00 H new ATOM 0 HG LEU B 13 7.680 -1.160 3.872 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.347 1.208 3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.736 0.354 2.266 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.324 1.435 2.340 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.400 0.523 5.136 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.306 0.728 3.748 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.369 -0.828 4.608 1.00 0.00 H new ATOM 759 N LEU B 14 5.613 -3.492 0.217 1.00 0.00 N ATOM 760 CA LEU B 14 4.972 -3.975 -1.005 1.00 0.00 C ATOM 761 C LEU B 14 3.948 -5.066 -0.691 1.00 0.00 C ATOM 762 O LEU B 14 2.847 -5.065 -1.245 1.00 0.00 O ATOM 763 CB LEU B 14 6.019 -4.491 -2.006 1.00 0.00 C ATOM 764 CG LEU B 14 5.458 -5.082 -3.305 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.693 -4.031 -4.097 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.580 -5.671 -4.148 1.00 0.00 C ATOM 0 H LEU B 14 6.616 -3.669 0.264 1.00 0.00 H new ATOM 0 HA LEU B 14 4.447 -3.136 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.688 -3.669 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.623 -5.252 -1.513 1.00 0.00 H new ATOM 0 HG LEU B 14 4.763 -5.879 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.306 -4.476 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.864 -3.656 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.361 -3.207 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.165 -6.086 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.298 -4.889 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.081 -6.460 -3.587 1.00 0.00 H new ATOM 778 N SER B 15 4.305 -5.984 0.205 1.00 0.00 N ATOM 779 CA SER B 15 3.392 -7.038 0.621 1.00 0.00 C ATOM 780 C SER B 15 2.136 -6.438 1.257 1.00 0.00 C ATOM 781 O SER B 15 1.014 -6.867 0.974 1.00 0.00 O ATOM 782 CB SER B 15 4.094 -7.976 1.609 1.00 0.00 C ATOM 783 OG SER B 15 5.318 -8.457 1.072 1.00 0.00 O ATOM 0 H SER B 15 5.220 -6.016 0.655 1.00 0.00 H new ATOM 0 HA SER B 15 3.092 -7.610 -0.257 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.285 -7.449 2.544 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.441 -8.816 1.845 1.00 0.00 H new ATOM 0 HG SER B 15 5.986 -7.740 1.088 1.00 0.00 H new ATOM 789 N LYS B 16 2.331 -5.428 2.101 1.00 0.00 N ATOM 790 CA LYS B 16 1.218 -4.750 2.751 1.00 0.00 C ATOM 791 C LYS B 16 0.459 -3.875 1.755 1.00 0.00 C ATOM 792 O LYS B 16 -0.764 -3.838 1.767 1.00 0.00 O ATOM 793 CB LYS B 16 1.715 -3.912 3.935 1.00 0.00 C ATOM 794 CG LYS B 16 0.624 -3.104 4.627 1.00 0.00 C ATOM 795 CD LYS B 16 1.148 -2.416 5.878 1.00 0.00 C ATOM 796 CE LYS B 16 0.106 -1.494 6.493 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.116 -0.269 5.681 1.00 0.00 N ATOM 0 H LYS B 16 3.250 -5.063 2.349 1.00 0.00 H new ATOM 0 HA LYS B 16 0.532 -5.508 3.129 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.180 -4.574 4.665 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.490 -3.230 3.584 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.230 -2.357 3.938 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.204 -3.761 4.892 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.445 -3.168 6.609 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.041 -1.842 5.630 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.836 -2.033 6.598 1.00 0.00 H new ATOM 0 HE3 LYS B 16 0.423 -1.209 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.069 0.103 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.592 0.449 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.026 -0.501 4.671 1.00 0.00 H new ATOM 811 N ASN B 17 1.192 -3.184 0.893 1.00 0.00 N ATOM 812 CA ASN B 17 0.597 -2.341 -0.143 1.00 0.00 C ATOM 813 C ASN B 17 -0.422 -3.145 -0.946 1.00 0.00 C ATOM 814 O ASN B 17 -1.572 -2.730 -1.110 1.00 0.00 O ATOM 815 CB ASN B 17 1.700 -1.799 -1.065 1.00 0.00 C ATOM 816 CG ASN B 17 1.240 -0.682 -1.993 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.069 -0.577 -2.344 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.176 0.158 -2.420 1.00 0.00 N ATOM 0 H ASN B 17 2.212 -3.189 0.889 1.00 0.00 H new ATOM 0 HA ASN B 17 0.085 -1.500 0.325 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.523 -1.432 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.091 -2.619 -1.667 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.929 0.915 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.142 0.046 -2.111 1.00 0.00 H new ATOM 825 N TYR B 18 0.000 -4.318 -1.409 1.00 0.00 N ATOM 826 CA TYR B 18 -0.866 -5.207 -2.160 1.00 0.00 C ATOM 827 C TYR B 18 -2.057 -5.670 -1.319 1.00 0.00 C ATOM 828 O TYR B 18 -3.137 -5.930 -1.850 1.00 0.00 O ATOM 829 CB TYR B 18 -0.068 -6.413 -2.640 1.00 0.00 C ATOM 830 CG TYR B 18 -0.530 -6.919 -3.976 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.143 -6.273 -5.135 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.358 -8.025 -4.080 1.00 0.00 C ATOM 833 CE1 TYR B 18 -0.566 -6.710 -6.366 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.786 -8.473 -5.312 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.389 -7.810 -6.454 1.00 0.00 C ATOM 836 OH TYR B 18 -1.814 -8.249 -7.686 1.00 0.00 O ATOM 0 H TYR B 18 0.946 -4.673 -1.273 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.256 -4.659 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.986 -6.144 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.150 -7.214 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.503 -5.410 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.672 -8.542 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -0.254 -6.193 -7.261 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.429 -9.338 -5.382 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.387 -9.036 -7.573 1.00 0.00 H new ATOM 846 N HIS B 19 -1.853 -5.765 -0.008 1.00 0.00 N ATOM 847 CA HIS B 19 -2.907 -6.182 0.909 1.00 0.00 C ATOM 848 C HIS B 19 -4.070 -5.198 0.835 1.00 0.00 C ATOM 849 O HIS B 19 -5.218 -5.594 0.633 1.00 0.00 O ATOM 850 CB HIS B 19 -2.375 -6.241 2.345 1.00 0.00 C ATOM 851 CG HIS B 19 -3.056 -7.249 3.223 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.390 -7.188 3.568 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.565 -8.349 3.840 1.00 0.00 C ATOM 854 CE1 HIS B 19 -4.684 -8.204 4.357 1.00 0.00 C ATOM 855 NE2 HIS B 19 -3.595 -8.923 4.537 1.00 0.00 N ATOM 0 H HIS B 19 -0.962 -5.557 0.444 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.249 -7.176 0.620 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.309 -6.467 2.314 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.479 -5.255 2.798 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -5.046 -6.470 3.261 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -1.548 -8.708 3.792 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.654 -8.411 4.783 1.00 0.00 H new ATOM 864 N LEU B 20 -3.756 -3.913 0.970 1.00 0.00 N ATOM 865 CA LEU B 20 -4.783 -2.874 0.928 1.00 0.00 C ATOM 866 C LEU B 20 -5.368 -2.754 -0.473 1.00 0.00 C ATOM 867 O LEU B 20 -6.559 -2.502 -0.627 1.00 0.00 O ATOM 868 CB LEU B 20 -4.267 -1.503 1.400 1.00 0.00 C ATOM 869 CG LEU B 20 -3.911 -1.384 2.891 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.050 -1.875 3.767 1.00 0.00 C ATOM 871 CD2 LEU B 20 -2.631 -2.120 3.227 1.00 0.00 C ATOM 0 H LEU B 20 -2.807 -3.567 1.108 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.562 -3.182 1.625 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.382 -1.251 0.816 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.025 -0.754 1.169 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.748 -0.326 3.095 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.770 -1.779 4.816 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.941 -1.278 3.573 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.258 -2.921 3.541 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.416 -2.010 4.290 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.745 -3.177 2.987 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.808 -1.703 2.646 1.00 0.00 H new ATOM 883 N GLU B 21 -4.531 -2.950 -1.489 1.00 0.00 N ATOM 884 CA GLU B 21 -4.996 -2.954 -2.877 1.00 0.00 C ATOM 885 C GLU B 21 -6.158 -3.929 -3.059 1.00 0.00 C ATOM 886 O GLU B 21 -7.170 -3.602 -3.688 1.00 0.00 O ATOM 887 CB GLU B 21 -3.851 -3.325 -3.828 1.00 0.00 C ATOM 888 CG GLU B 21 -2.926 -2.163 -4.163 1.00 0.00 C ATOM 889 CD GLU B 21 -3.549 -1.180 -5.134 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.808 -0.338 -5.681 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.774 -1.253 -5.375 1.00 0.00 O ATOM 0 H GLU B 21 -3.529 -3.108 -1.380 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.344 -1.949 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.264 -4.126 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.273 -3.719 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.659 -1.640 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.001 -2.552 -4.589 1.00 0.00 H new ATOM 898 N ASN B 22 -6.021 -5.116 -2.484 1.00 0.00 N ATOM 899 CA ASN B 22 -7.062 -6.132 -2.577 1.00 0.00 C ATOM 900 C ASN B 22 -8.306 -5.711 -1.800 1.00 0.00 C ATOM 901 O ASN B 22 -9.431 -5.865 -2.287 1.00 0.00 O ATOM 902 CB ASN B 22 -6.551 -7.480 -2.063 1.00 0.00 C ATOM 903 CG ASN B 22 -5.435 -8.062 -2.915 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.442 -7.764 -4.207 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.572 -8.779 -2.415 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.200 -5.399 -1.949 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.331 -6.239 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.193 -7.360 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.380 -8.187 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.598 -8.987 -1.417 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.830 -9.166 -2.998 1.00 0.00 H new ATOM 912 N GLU B 23 -8.100 -5.172 -0.598 1.00 0.00 N ATOM 913 CA GLU B 23 -9.206 -4.691 0.229 1.00 0.00 C ATOM 914 C GLU B 23 -9.987 -3.599 -0.488 1.00 0.00 C ATOM 915 O GLU B 23 -11.215 -3.653 -0.558 1.00 0.00 O ATOM 916 CB GLU B 23 -8.700 -4.155 1.570 1.00 0.00 C ATOM 917 CG GLU B 23 -8.844 -5.136 2.723 1.00 0.00 C ATOM 918 CD GLU B 23 -8.021 -6.388 2.536 1.00 0.00 C ATOM 919 OE1 GLU B 23 -6.854 -6.404 2.970 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.540 -7.369 1.963 1.00 0.00 O ATOM 0 H GLU B 23 -7.178 -5.058 -0.176 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.865 -5.539 0.413 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.650 -3.883 1.468 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.244 -3.242 1.813 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.545 -4.646 3.650 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.893 -5.410 2.831 1.00 0.00 H new ATOM 927 N VAL B 24 -9.264 -2.618 -1.025 1.00 0.00 N ATOM 928 CA VAL B 24 -9.883 -1.510 -1.738 1.00 0.00 C ATOM 929 C VAL B 24 -10.815 -2.030 -2.832 1.00 0.00 C ATOM 930 O VAL B 24 -11.983 -1.646 -2.908 1.00 0.00 O ATOM 931 CB VAL B 24 -8.827 -0.572 -2.368 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.482 0.468 -3.262 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.013 0.110 -1.285 1.00 0.00 C ATOM 0 H VAL B 24 -8.246 -2.571 -0.978 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.457 -0.940 -1.008 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.162 -1.180 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.716 1.113 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.026 -0.032 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.175 1.069 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.274 0.767 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.674 0.697 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.505 -0.643 -0.683 1.00 0.00 H new ATOM 943 N ALA B 25 -10.291 -2.927 -3.658 1.00 0.00 N ATOM 944 CA ALA B 25 -11.054 -3.511 -4.755 1.00 0.00 C ATOM 945 C ALA B 25 -12.294 -4.257 -4.260 1.00 0.00 C ATOM 946 O ALA B 25 -13.376 -4.131 -4.838 1.00 0.00 O ATOM 947 CB ALA B 25 -10.170 -4.445 -5.558 1.00 0.00 C ATOM 0 H ALA B 25 -9.332 -3.268 -3.588 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.397 -2.694 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.746 -4.878 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.326 -3.888 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.802 -5.242 -4.912 1.00 0.00 H new ATOM 953 N ARG B 26 -12.136 -5.038 -3.194 1.00 0.00 N ATOM 954 CA ARG B 26 -13.240 -5.820 -2.649 1.00 0.00 C ATOM 955 C ARG B 26 -14.339 -4.916 -2.100 1.00 0.00 C ATOM 956 O ARG B 26 -15.521 -5.130 -2.371 1.00 0.00 O ATOM 957 CB ARG B 26 -12.727 -6.775 -1.564 1.00 0.00 C ATOM 958 CG ARG B 26 -13.835 -7.475 -0.788 1.00 0.00 C ATOM 959 CD ARG B 26 -13.310 -8.656 0.014 1.00 0.00 C ATOM 960 NE ARG B 26 -12.162 -8.307 0.855 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.025 -8.680 2.130 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.987 -9.366 2.736 1.00 0.00 N ATOM 963 NH2 ARG B 26 -10.926 -8.364 2.802 1.00 0.00 N ATOM 0 H ARG B 26 -11.255 -5.145 -2.692 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.672 -6.410 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.089 -7.528 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.104 -6.216 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.312 -6.763 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.602 -7.820 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -14.110 -9.046 0.643 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.024 -9.455 -0.670 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.420 -7.743 0.440 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -13.837 -9.611 2.227 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.876 -9.648 3.710 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -10.183 -7.835 2.345 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -10.824 -8.650 3.776 1.00 0.00 H new ATOM 977 N LEU B 27 -13.945 -3.899 -1.344 1.00 0.00 N ATOM 978 CA LEU B 27 -14.901 -2.960 -0.764 1.00 0.00 C ATOM 979 C LEU B 27 -15.650 -2.183 -1.847 1.00 0.00 C ATOM 980 O LEU B 27 -16.820 -1.837 -1.669 1.00 0.00 O ATOM 981 CB LEU B 27 -14.188 -2.005 0.194 1.00 0.00 C ATOM 982 CG LEU B 27 -13.625 -2.666 1.449 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.694 -1.721 2.179 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.750 -3.117 2.368 1.00 0.00 C ATOM 0 H LEU B 27 -12.970 -3.702 -1.117 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.640 -3.533 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.373 -1.517 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.886 -1.223 0.493 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.055 -3.544 1.144 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.304 -2.212 3.071 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.867 -1.447 1.524 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.240 -0.823 2.469 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.328 -3.586 3.257 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.348 -2.254 2.662 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.382 -3.835 1.845 1.00 0.00 H new ATOM 996 N LYS B 28 -14.990 -1.931 -2.978 1.00 0.00 N ATOM 997 CA LYS B 28 -15.628 -1.248 -4.095 1.00 0.00 C ATOM 998 C LYS B 28 -16.734 -2.119 -4.672 1.00 0.00 C ATOM 999 O LYS B 28 -17.834 -1.645 -4.943 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.615 -0.917 -5.195 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.652 0.206 -4.850 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.656 0.437 -5.975 1.00 0.00 C ATOM 1003 CE LYS B 28 -11.786 1.658 -5.718 1.00 0.00 C ATOM 1004 NZ LYS B 28 -10.799 1.871 -6.808 1.00 0.00 N ATOM 0 H LYS B 28 -14.017 -2.190 -3.141 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.049 -0.315 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.040 -1.814 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.157 -0.647 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.210 1.123 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.118 -0.038 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.023 -0.443 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.193 0.565 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.418 2.541 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.261 1.537 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.225 2.712 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.180 1.039 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.301 2.011 -7.708 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.420 -3.395 -4.868 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.392 -4.377 -5.326 1.00 0.00 C ATOM 1020 C LYS B 29 -18.599 -4.438 -4.383 1.00 0.00 C ATOM 1021 O LYS B 29 -19.744 -4.516 -4.828 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.716 -5.753 -5.422 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.650 -6.906 -5.765 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.916 -8.234 -5.712 1.00 0.00 C ATOM 1025 CE LYS B 29 -17.832 -9.391 -6.058 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.116 -10.690 -6.039 1.00 0.00 N ATOM 0 H LYS B 29 -15.486 -3.776 -4.714 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.756 -4.081 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.931 -5.704 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.230 -5.970 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.487 -6.921 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.068 -6.757 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.076 -8.214 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.502 -8.382 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.660 -9.423 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.264 -9.229 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.778 -11.455 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.342 -10.670 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.726 -10.857 -5.090 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.334 -4.385 -3.081 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.393 -4.470 -2.077 1.00 0.00 C ATOM 1042 C LEU B 30 -20.328 -3.265 -2.149 1.00 0.00 C ATOM 1043 O LEU B 30 -21.540 -3.422 -2.285 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.795 -4.580 -0.672 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.923 -5.813 -0.426 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.428 -5.835 1.011 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.691 -7.088 -0.745 1.00 0.00 C ATOM 0 H LEU B 30 -17.395 -4.284 -2.695 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.975 -5.367 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.198 -3.689 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.609 -4.581 0.052 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.060 -5.760 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.809 -6.718 1.169 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.838 -4.939 1.206 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.281 -5.863 1.689 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.052 -7.952 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.574 -7.149 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -18.997 -7.076 -1.791 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.766 -2.066 -2.054 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.555 -0.843 -2.114 1.00 0.00 C ATOM 1061 C VAL B 31 -20.952 -0.492 -3.561 1.00 0.00 C ATOM 1062 O VAL B 31 -21.609 0.521 -3.813 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.770 0.329 -1.476 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.631 0.790 -2.373 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.695 1.484 -1.129 1.00 0.00 C ATOM 0 H VAL B 31 -18.764 -1.915 -1.935 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.473 -1.011 -1.551 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.330 -0.038 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -18.101 1.614 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.941 -0.037 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -19.033 1.124 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -20.116 2.292 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -21.183 1.844 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -21.451 1.145 -0.420 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.587 -1.352 -4.505 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.826 -1.071 -5.907 1.00 0.00 C ATOM 1077 C GLY B 32 -22.164 -1.586 -6.392 1.00 0.00 C ATOM 1078 O GLY B 32 -22.246 -2.247 -7.430 1.00 0.00 O ATOM 0 H GLY B 32 -20.127 -2.244 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.776 0.006 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.032 -1.521 -6.503 1.00 0.00 H new ATOM 1082 N GLU B 33 -23.212 -1.287 -5.644 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.561 -1.670 -6.024 1.00 0.00 C ATOM 1084 C GLU B 33 -25.489 -0.474 -5.892 1.00 0.00 C ATOM 1085 O GLU B 33 -26.054 -0.269 -4.797 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.067 -2.832 -5.157 1.00 0.00 C ATOM 1087 CG GLU B 33 -24.353 -4.150 -5.408 1.00 0.00 C ATOM 1088 CD GLU B 33 -24.857 -5.255 -4.507 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.273 -5.459 -3.422 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.843 -5.925 -4.880 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.624 0.278 -6.877 1.00 0.00 O ATOM 0 H GLU B 33 -23.153 -0.776 -4.763 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.548 -2.004 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.953 -2.564 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -26.133 -2.969 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.489 -4.442 -6.449 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.283 -4.017 -5.252 1.00 0.00 H new TER 1098 GLU B 33